SCHEMBL21325598

SCHEMBL21325598

CCCC[C@H](CO)Nc1nc(N)nc2c(C)cccc12

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 8/20 0.69
▸ TLR7 Q9NYK1 4/20 0.69
▸ KCNH2 Q12809 9/20 0.66
▸ CYP2D6 P10635 1/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24719004 1.00 TLR8 (0.69) TLR8TLR7KCNH2CYP2D6
SCHEMBL28691699 0.93 CYP2D6 (0.65) TLR8TLR7KCNH2CYP2D6
SCHEMBL21325603 0.93 CYP2D6 (0.65) TLR8TLR7KCNH2CYP2D6
SCHEMBL13975896 0.93 CYP2D6 (0.65) TLR8TLR7KCNH2CYP2D6
SCHEMBL21325649 0.87 KCNH2 (0.85) TLR8TLR7KCNH2CYP2D6
SCHEMBL13975563 0.87 KCNH2 (0.85) TLR8TLR7KCNH2CYP2D6
SCHEMBL21325602 0.87 TLR8 (0.68) TLR8TLR7KCNH2CYP2D6
SCHEMBL21325654 0.85 TLR7 (0.65) TLR8TLR7KCNH2CYP2D6
SCHEMBL24384569 0.83 KCNH2 (0.55) TLR8TLR7KCNH2CYP2D6
SCHEMBL22959029 0.83 KCNH2 (0.55) TLR8TLR7KCNH2CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230278964-A1 2,4-DIAMINOQUINAZOLINE DERIVATIVES AND MEDICAL USES THEREOF Janssen Sciences Ireland Unlimited Company (IE) 2023-09-07 — — US disclosed
US-20230278964-A1 2,4-DIAMINOQUINAZOLINE DERIVATIVES AND MEDICAL USES THEREOF Janssen Sciences Ireland Unlimited Company (IE) 2023-09-07 — — US disclosed
EP-3986871-B1 QUINAZOLINE PRODRUGS FOR THE TREATMENT OF VIRAL INFECTIONS AND FURTHER DISEASES JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2023-06-07 — — EP disclosed
EP-4059924-A1 2,4-DIAMINOQUINAZOLINE DERIVATIVES AND MEDICAL USES THEREOF Janssen Sciences Ireland Unlimited Company (IE) 2022-09-21 — — EP disclosed
EP-3759083-B1 2,4-DIAMINOQUINAZOLINE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF VIRUS INFECTIONS, CANCER OR ALLERGIES JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2022-05-04 — — EP disclosed
CN-114008029-A Quinazoline prodrugs for the treatment of viral infections and additional diseases 爱尔兰詹森科学公司 2022-02-01 — — CN disclosed
US-20210040046-A1 2,4-DIAMINOQUINAZOLINE DERIVATIVES AND MEDICAL USES THEREOF Janssen Sciences Ireland Unlimi (IE) 2021-02-11 — — US disclosed
WO-2020255019-A1 COMBINATION OF HEPATITIS B VIRUS (HBV) VACCINES AND A QUINAZOLINE DERIVATIVE Janssen Sciences Ireland Unlimited Company (IE) 2020-12-24 — — WO disclosed
WO-2020254473-A1 QUINAZOLINE PRODRUGS FOR THE TREATMENT OF VIRAL INFECTIONS AND FURTHER DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2020-12-24 — — WO disclosed
WO-2020255039-A1 COMBINATION OF HEPATITIS B VIRUS (HBV) VACCINES AND QUINAZOLINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2020-12-24 — — WO disclosed
WO-2020255039-A1 COMBINATION OF HEPATITIS B VIRUS (HBV) VACCINES AND QUINAZOLINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2020-12-24 — — WO disclosed
CN-111868040-A 2, 4-diaminoquinazoline derivatives and medical uses thereof 爱尔兰詹森科学公司 2020-10-30 — — CN disclosed
WO-2019166532-A1 2,4-DIAMINOQUINAZOLINE DERIVATIVES AND MEDICAL USES THEREOF Janssen Sciences Ireland Unlimited Company (IE) 2019-09-06 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210040046-A1 2,4-DIAMINOQUINAZOLINE DERIVATIVES AND MEDICAL USES THEREOF HRH4, HRH3, HNMT TLR8 400/4885TLR7 52/4885KCNH2 968/4885
US-20230278964-A1 2,4-DIAMINOQUINAZOLINE DERIVATIVES AND MEDICAL USES THEREOF QDPR, PADI2, PEPD TLR8 584/4885TLR7 728/4885KCNH2 1977/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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